2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile

C14H24N2O — CID 61431981

IUPAC2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile
SMILESCN(CC1CCCO1)C1CCCCCC1C#N
InChIInChI=1S/C14H24N2O/c1-16(11-13-7-5-9-17-13)14-8-4-2-3-6-12(14)10-15/h12-14H,2-9,11H2,1H3
InChIKeyCFTGHKIEWCQXLU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.57
Rot. Bonds3

About 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile

2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile (PubChem CID 61431981) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile
PubChem CID61431981
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile
SMILESCN(CC1CCCO1)C1CCCCCC1C#N
InChIInChI=1S/C14H24N2O/c1-16(11-13-7-5-9-17-13)14-8-4-2-3-6-12(14)10-15/h12-14H,2-9,11H2,1H3
InChIKeyCFTGHKIEWCQXLU-UHFFFAOYSA-N
XLogP2.57
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile (CID 61431981) is 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile is CN(CC1CCCO1)C1CCCCCC1C#N.
What is the InChIKey of 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile?
The InChIKey is CFTGHKIEWCQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-16(11-13-7-5-9-17-13)14-8-4-2-3-6-12(14)10-15/h12-14H,2-9,11H2,1H3.
What are the key properties of 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile?
2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 61431981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).